4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol

C11H17ClN2O — CID 3943429

IUPAC4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol
SMILESCN(C)CCNCc1cc(Cl)ccc1O
InChIInChI=1S/C11H17ClN2O/c1-14(2)6-5-13-8-9-7-10(12)3-4-11(9)15/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyJGGVOJGVZUEIKM-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.70
Rot. Bonds5

About 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol

4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol (PubChem CID 3943429) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol
PubChem CID3943429
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol
SMILESCN(C)CCNCc1cc(Cl)ccc1O
InChIInChI=1S/C11H17ClN2O/c1-14(2)6-5-13-8-9-7-10(12)3-4-11(9)15/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyJGGVOJGVZUEIKM-UHFFFAOYSA-N
XLogP1.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol (CID 3943429) is 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol is CN(C)CCNCc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol?
The InChIKey is JGGVOJGVZUEIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(2)6-5-13-8-9-7-10(12)3-4-11(9)15/h3-4,7,13,15H,5-6,8H2,1-2H3.
What are the key properties of 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol?
4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol has a molecular weight of 228.72 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(dimethylamino)ethylamino]methyl]phenol is sourced from PubChem (CID 3943429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).